REMARK Name = BDB046549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.377 -1.936 1.311 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 1 -1.387 -1.211 0.528 0.00 0.00 -0.310 N ATOM 3 H UNK A 1 -1.372 -1.310 -0.481 0.00 0.00 +0.149 HD ATOM 4 C UNK A 1 -2.143 -0.199 1.079 0.00 0.00 +0.216 C ATOM 5 O UNK A 1 -2.071 0.122 2.258 0.00 0.00 -0.276 OA BRANCH 4 6 ATOM 6 C UNK A 1 -3.032 0.493 0.071 0.00 0.00 +0.129 C BRANCH 6 7 ATOM 7 C UNK A 1 -4.000 1.474 0.732 0.00 0.00 +0.190 C BRANCH 7 8 ATOM 8 N UNK A 1 -4.933 2.022 -0.262 0.00 0.00 -0.302 N ATOM 9 H UNK A 1 -4.696 2.906 -0.702 0.00 0.00 +0.150 HD ATOM 10 C UNK A 0 -6.020 1.307 -0.708 0.00 0.00 +0.214 C ATOM 11 O UNK A 0 -6.274 0.175 -0.317 0.00 0.00 -0.276 OA BRANCH 10 12 ATOM 12 C UNK A 0 -6.832 2.053 -1.753 0.00 0.00 +0.098 C BRANCH 12 13 ATOM 13 C UNK A 0 -8.156 1.362 -2.110 0.00 0.00 -0.008 C ATOM 14 C UNK A 0 -9.178 1.497 -0.978 0.00 0.00 +0.008 C ATOM 15 C UNK A 0 -8.730 1.960 -3.396 0.00 0.00 +0.008 C ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 16 ATOM 16 C UNK A 1 -3.238 2.663 1.306 0.00 0.00 +0.326 C ATOM 17 O UNK A 1 -2.578 3.462 0.656 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 -3.413 2.831 2.630 0.00 0.00 -0.479 OA ATOM 19 H UNK A 1 -2.856 3.599 2.869 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C UNK A 1 -0.125 -3.322 0.674 0.00 0.00 +0.060 C BRANCH 20 21 ATOM 21 C UNK A 1 0.542 -4.322 1.587 0.00 0.00 -0.046 A ATOM 22 C UNK A 1 1.881 -4.684 1.393 0.00 0.00 +0.004 A ATOM 23 C UNK A 1 2.499 -5.597 2.249 0.00 0.00 +0.000 A ATOM 24 C UNK A 1 1.783 -6.163 3.301 0.00 0.00 +0.000 A ATOM 25 C UNK A 1 0.448 -5.816 3.500 0.00 0.00 +0.000 A ATOM 26 C UNK A 1 -0.171 -4.900 2.648 0.00 0.00 +0.004 A ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 1 27 ATOM 27 C UNK A 1 0.901 -1.061 1.522 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 O UNK A 1 1.804 -1.669 2.442 0.00 0.00 -0.390 OA ATOM 29 H UNK A 1 1.292 -1.989 3.206 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C UNK A 1 1.652 -0.766 0.214 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C UNK A 1 2.698 0.369 0.317 0.00 0.00 +0.078 C BRANCH 31 34 ATOM 32 N UNK A 1 3.938 1.903 -1.125 0.00 0.00 -0.315 N ATOM 33 H UNK A 1 3.903 2.517 -0.320 0.00 0.00 +0.149 HD ATOM 34 C UNK A 1 3.176 0.754 -1.088 0.00 0.00 +0.216 C ATOM 35 O UNK A 1 2.909 0.097 -2.090 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C UNK A 1 4.399 2.461 -2.381 0.00 0.00 +0.107 C BRANCH 36 38 ATOM 37 C UNK A 1 6.831 2.618 -1.695 0.00 0.00 +0.009 C ATOM 38 C UNK A 1 5.604 3.390 -2.187 0.00 0.00 -0.000 C ATOM 39 C UNK A 1 5.928 4.109 -3.497 0.00 0.00 +0.009 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 31 34 BRANCH 31 40 ATOM 40 C UNK A 1 3.903 0.084 1.236 0.00 0.00 +0.024 C BRANCH 40 41 ATOM 41 C UNK A 1 4.685 -1.184 0.884 0.00 0.00 +0.121 C BRANCH 41 42 ATOM 42 C UNK A 1 5.888 -1.349 1.774 0.00 0.00 +0.305 C ATOM 43 O UNK A 1 6.367 -0.527 2.536 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O UNK A 1 6.460 -2.561 1.630 0.00 0.00 -0.481 OA ATOM 45 H UNK A 1 7.218 -2.538 2.250 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 31 40 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 21